Molecule

3-Aminodihydro-2(3H)-furanone; (S)-form, N-Hexanoyl

AlkaPlorer ID: AK285008

Synonym: N-(Tetrahydro-2-oxo-3-furanyl)hexanamide, N-Hexanoylhomoserine lactone, C6-HSL

IUPAC Name: N-(2-oxooxolan-3-yl)hexanamide

SMILES: CCCCCC(O)=NC1CCOC1=O

InChI: InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)

InChIKey: ZJFKKPDLNLCPNP-UHFFFAOYSA-N

PubChem CID: 3462373

CAS: 147852-83-3

LOTUS: LTS0222676

COCONUT: CNP0192734.1

{

NPAtlas: NPA009571

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Vibrio anguillarum	Vibrio	Vibrionaceae	Vibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Pseudomonas aeruginosa	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Psidium guajava	Psidium	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
bacterium	None	None	None	None	None	None	Bacteria
Nitrosomonas europaea	Nitrosomonas	Nitrosomonadaceae	Nitrosomonadales	Betaproteobacteria	Pseudomonadota	None	Bacteria
Serratia marcescens	Serratia	Yersiniaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 199.25

TPSA？: 58.89000000000001

MolLogP？: 1.8387

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Chromobacterium violaceum	CviR transcriptional regulator	Activity	nan	None	10.1016/j.bmc.2015.10.046
None	Unchecked	Concentration	9.0	uM	10.1016/s0960-894x(02)00124-5

AKRT ID	Reaction	Reaction Link ID
AKRT007884	CCCCCC(=O)NC1CCOC1=O>>CCCCCC(=O)NC(CCO)C(=O)O	enzymemap_52285
AKRT007885	CCCCCC(=O)NC1CCOC1=O>>CCCCCC(=O)O	enzymemap_78294
AKRT007886	CCCCCC(=O)NC1CCOC1=O>>CCCCCC(=O)O.N[C@H]1CCOC1=O	None
AKRT007887	CCCCCC(=O)NC1CCOC1=O>>N[C@H]1CCOC1=O	enzymemap_78294
AKRT007957	CCCCCC(O)=N[C@@H](CCO)C(=O)O>>CCCCCC(=O)NC1CCOC1=O	MNXR132168